Molecule ID: mol21680

SMILES: CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12

InChI: InChI=1S/C25H28N4O2/c1-3-28(4-2)13-7-15-31-17-10-11-22-20(16-17)25(30)29-14-12-19-18-8-5-6-9-21(18)26-23(19)24(29)27-22/h5-6,8-11,16,26H,3-4,7,12-15H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.29 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization